SCHEMBL2227972

SCHEMBL2227972

CC1(C(N)=O)CC1c1ccc(N)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.36
MAOA P21397 4/20 0.36
MAOB P27338 4/20 0.36
CYP19A1 P11511 7/20 0.35
POLB P06746 2/20 0.35
ALDH1A1 P00352 2/20 0.35
ESR1 P03372 1/20 0.35
HSD17B10 Q99714 1/20 0.35
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
LMNA P02545 3/20 0.33
BLM P54132 2/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
PPARA Q07869 1/20 0.33
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
PKM P14618 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15541944 0.84 KDM1A (0.55) KDM1AMAOAMAOB
SCHEMBL15542258 0.84 KDM1A (0.55) KDM1AMAOAMAOB
SCHEMBL6623618 0.84 KDM1A (0.55) KDM1AMAOAMAOB
SCHEMBL27699502 0.80 KDM1A (0.50) KDM1AMAOAMAOBPOLBALDH1A1
SCHEMBL2227817 0.80 TSHR (0.46) HSD17B10LMNATSHRMEN1MAPT
SCHEMBL38656156 0.74 KDM1A (0.45) KDM1AMAOAMAOBCYP19A1ALDH1A1
SCHEMBL20707745 0.74 KDM1A (0.45) KDM1AMAOAMAOBCYP19A1ALDH1A1
SCHEMBL20707778 0.74 KDM1A (0.45) KDM1AMAOAMAOBCYP19A1ALDH1A1
SCHEMBL22335046 0.72 KDM1A (0.65) KDM1AMAOAMAOBCYP19A1ALDH1A1
SCHEMBL30210658 0.71 HSD11B1 (0.34) KDM1AMAOA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8975250-B2 5 oxo-5,8-dihydropyrido[2,3-d]pyrimidine derivatives as CaMKII kinase inhibitors for treating cardiovascular diseases SANOFI (FR) 2015-03-10 US disclosed
EP-2521726-B1 5-OXO-5,8-DIHYDROPYRIDO[2,3-D]PYRIMIDINE DERIVATIVES AS CAMKII KINASES INHIBITORS FOR THE TREATMENT OF CARDIOVASCULAR DISEASES SANOFI SA (FR) 2013-12-18 EP disclosed
EP-2521726-A1 5-OXO-5, 8-DIHYDROPYRIDO [2, 3-D]PYRIMIDINE DERIVATIVES AS CAMKII KINASE INHIBITORS FOR TREATING CARDIOVASCULAR DISEASES SANOFI (FR) 2012-11-14 EP disclosed
US-20120277220-A1 5 OXO-5,8-DIHYDROPYRIDO[2,3-d]PYRIMIDINE DERIVATIVES AS CAMKII KINASE INHIBITORS FOR TREATING CARDIOVASCULAR DISEASES SANOFI (FR) 2012-11-01 US disclosed
WO-2011086306-A9 5-OXO-5, 8-DIHYDROPYRIDO [2, 3-D] PYRIMIDINE DERIVATIVES AS CAMKII KINASE INHIBITORS FOR TREATING CARDIOVASCULAR DISEASES SANOFI-AVENTIS (FR) 2011-10-27 WO disclosed
WO-2011086306-A1 5-OXO-5, 8-DIHYDROPYRIDO [2, 3-D] PYRIMIDINE DERIVATIVES AS CAMKII KINASE INHIBITORS FOR TREATING CARDIOVASCULAR DISEASES SANOFI-AVENTIS (FR) 2011-07-21 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120277220-A1 5 OXO-5,8-DIHYDROPYRIDO[2,3-d]PYRIMIDINE DERIVATIVES AS CAMKII KINASE INHIBITORS FOR TREATING CARDIOVASCULAR DISEASES CAMKK1, CAMKK2, CAMK1 KDM1A 3069/4885MAOA 2063/4885MAOB 1609/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.